(6R)-6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one

C14H14N2O2 — CID 40713703

IUPAC(6R)-6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one
SMILESCc1[nH]nc2c1C(=O)C[C@H](c1ccccc1O)C2
InChIInChI=1S/C14H14N2O2/c1-8-14-11(16-15-8)6-9(7-13(14)18)10-4-2-3-5-12(10)17/h2-5,9,17H,6-7H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyDQRSTOQAGYEZJT-SECBINFHSA-N
MW242.28 g/mol
LogP2.34
Rot. Bonds1

About (6R)-6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one

(6R)-6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one (PubChem CID 40713703) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (6R)-6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one.

Molecular Properties

Compound Name(6R)-6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one
PubChem CID40713703
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(6R)-6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one
SMILESCc1[nH]nc2c1C(=O)C[C@H](c1ccccc1O)C2
InChIInChI=1S/C14H14N2O2/c1-8-14-11(16-15-8)6-9(7-13(14)18)10-4-2-3-5-12(10)17/h2-5,9,17H,6-7H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyDQRSTOQAGYEZJT-SECBINFHSA-N
XLogP2.34
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride
CID 135581655
6-(2,5-dichlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one;hydrochloride
CID 18317678
2-(4-amino-3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)phenol
CID 66489494
(6R)-6-[4-fluoro-2-(6-fluoro-2-pyridinyl)phenyl]-3-methyl-2,5,6,7-tetrahydroindazol-4-one
CID 143312161
1-[(Z)-[6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]-2-methylguanidine;hydrochloride
CID 135581645
(NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine
CID 135923483
1-(1H-benzimidazol-2-yl)-6-(2-hydroxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 16584409
(8R)-3-(4-fluorophenyl)-8-(2-hydroxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
CID 26182796
7-(2-fluorophenyl)-2,4-dimethyl-7,8-dihydro-6H-quinolin-5-one
CID 18317645
N-[2-[2-(2-amino-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-7-yl)phenyl]phenyl]acetamide
CID 69451982
6-(2-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
CID 66489178
(8R)-8-(2-hydroxyphenyl)-6-methyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3,6-trien-10-one
CID 135930087

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one?
The IUPAC name of (6R)-6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one (CID 40713703) is (6R)-6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one.
What is the SMILES notation for (6R)-6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one?
The canonical SMILES for (6R)-6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one is Cc1[nH]nc2c1C(=O)C[C@H](c1ccccc1O)C2.
What is the InChIKey of (6R)-6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one?
The InChIKey is DQRSTOQAGYEZJT-SECBINFHSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-8-14-11(16-15-8)6-9(7-13(14)18)10-4-2-3-5-12(10)17/h2-5,9,17H,6-7H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (6R)-6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one?
(6R)-6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one has a molecular weight of 242.28 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one is sourced from PubChem (CID 40713703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).